(5Z)-5-[(3As,4R,5R,6As)-5-Hydroxy-4-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]Hexahydro-2(1H)-Pentalenylidene]Pentanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C21H34O4
IUPAC Name (5z)-5-[(3as,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-1h-pentalen-2-ylidene]pentanoic acid
Molecular Mass 350.492 g·mol−1
Heat of Formation -917.8 ± 16.7 kJ·mol−1
Dipole Moment 4.52 ± 1.08 D
Volume 483.0 Å 3
Surface Area 381.78 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 0.86 ± eV
Point Group Symmetry C1
Synonyms
  • (5z)-5-[(3as,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-1h-pentalen-2-ylidene]pentanoic acid
  • (5z)-5-[(3as,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-1h-pentalen-2-ylidene]valeric acid
  • carbacyclin
InChIKey XZFRIPGNUQRGPI-WLPVIMDJSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O